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Calcium in PDB 1akl: Alkaline Protease From Pseudomonas Aeruginosa IFO3080

Enzymatic activity of Alkaline Protease From Pseudomonas Aeruginosa IFO3080

All present enzymatic activity of Alkaline Protease From Pseudomonas Aeruginosa IFO3080:
3.4.24.40;

Protein crystallography data

The structure of Alkaline Protease From Pseudomonas Aeruginosa IFO3080, PDB code: 1akl was solved by H.Miyatake, Y.Hata, T.Fujii, K.Hamada, K.Morihara, Y.Katsube, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.160, 176.690, 51.120, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 22.5

Other elements in 1akl:

The structure of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Calcium Binding Sites:

The binding sites of Calcium atom in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080 (pdb code 1akl). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080, PDB code: 1akl:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 1akl

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Calcium binding site 1 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca501

b:28.8
occ:1.00
O A:ARG253 2.2 26.1 1.0
OG1 A:THR257 2.3 18.4 1.0
O A:GLY255 2.3 31.2 1.0
O A:GLY287 2.4 30.3 1.0
OD1 A:ASP290 2.4 29.2 1.0
OD2 A:ASP285 2.5 25.5 1.0
OD1 A:ASP285 2.6 29.0 1.0
CG A:ASP285 2.9 27.1 1.0
CG A:ASP290 3.3 25.9 1.0
C A:ARG253 3.4 28.4 1.0
CB A:THR257 3.5 20.4 1.0
C A:GLY255 3.5 27.1 1.0
OD2 A:ASP290 3.6 28.9 1.0
C A:GLY287 3.6 31.8 1.0
N A:THR257 3.8 30.1 1.0
N A:GLY255 3.9 23.2 1.0
C A:THR254 4.1 27.3 1.0
CB A:ARG253 4.1 27.3 1.0
CA A:THR257 4.3 25.7 1.0
N A:THR254 4.3 28.4 1.0
CA A:GLY255 4.3 26.3 1.0
CA A:THR254 4.3 29.0 1.0
CA A:ARG253 4.4 25.5 1.0
CB A:ASP285 4.4 24.3 1.0
CA A:GLY288 4.4 26.1 1.0
N A:GLY287 4.4 23.9 1.0
N A:GLY288 4.5 27.3 1.0
N A:ASP256 4.5 29.8 1.0
CG2 A:THR257 4.5 20.5 1.0
O A:THR254 4.6 27.5 1.0
C A:ASP256 4.6 29.9 1.0
CA A:GLY287 4.6 26.4 1.0
CA A:ASP256 4.6 28.6 1.0
CB A:ASP290 4.7 25.7 1.0
C A:GLY288 4.7 30.2 1.0
OH A:TYR259 4.8 24.6 1.0
O A:HOH1028 4.8 28.0 1.0
O A:GLY288 4.8 36.8 1.0

Calcium binding site 2 out of 8 in 1akl

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Calcium binding site 2 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca502

b:29.0
occ:1.00
O A:GLY288 2.3 36.8 1.0
O A:HOH1252 2.3 28.8 1.0
O A:THR327 2.4 29.3 1.0
O A:HOH1028 2.5 28.0 1.0
OD2 A:ASP290 2.5 28.9 1.0
OE1 A:GLU329 2.5 27.0 1.0
OE2 A:GLU329 2.6 27.9 1.0
CD A:GLU329 2.9 26.6 1.0
C A:GLY288 3.5 30.2 1.0
C A:THR327 3.6 25.0 1.0
CG A:ASP290 3.6 25.9 1.0
N A:ASP290 4.2 31.4 1.0
N A:GLY288 4.2 27.3 1.0
C A:GLY287 4.3 31.8 1.0
CB A:ASP290 4.3 25.7 1.0
CG A:GLU329 4.4 21.6 1.0
O A:GLY287 4.4 30.3 1.0
CB A:THR327 4.4 26.2 1.0
CA A:GLY288 4.4 26.1 1.0
CA A:VAL328 4.5 23.6 1.0
N A:ASN289 4.5 25.8 1.0
N A:VAL328 4.5 25.3 1.0
OD1 A:ASP290 4.5 29.2 1.0
CA A:THR327 4.6 27.1 1.0
CA A:ASN289 4.6 32.5 1.0
O A:HOH1147 4.6 32.2 1.0
OD1 A:ASP285 4.6 29.0 1.0
O A:HOH1272 4.6 47.1 1.0
N A:GLU329 4.7 26.9 1.0
CG2 A:THR327 4.8 27.1 1.0
C A:ASN289 4.8 31.0 1.0
CA A:GLY287 4.9 26.4 1.0
C A:VAL328 4.9 24.5 1.0
CA A:ASP290 4.9 29.1 1.0
N A:THR327 5.0 30.1 1.0

Calcium binding site 3 out of 8 in 1akl

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Calcium binding site 3 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca503

b:25.9
occ:1.00
O A:GLY334 2.2 35.2 1.0
O A:GLY336 2.2 35.2 1.0
O A:GLY351 2.3 28.1 1.0
O A:ALA353 2.3 36.6 1.0
OD1 A:ASP356 2.5 44.1 1.0
OD2 A:ASP338 2.7 34.5 1.0
CG A:ASP356 3.3 41.8 1.0
CG A:ASP338 3.4 33.8 1.0
C A:GLY334 3.4 33.1 1.0
OD2 A:ASP356 3.4 44.1 1.0
C A:GLY336 3.5 37.6 1.0
C A:ALA353 3.5 34.9 1.0
C A:GLY351 3.5 29.5 1.0
N A:GLY336 3.8 40.0 1.0
C A:SER335 3.9 40.0 1.0
C A:GLY352 4.0 29.6 1.0
OD1 A:ASP338 4.0 30.6 1.0
O A:GLY352 4.0 37.9 1.0
N A:ASP338 4.1 33.4 1.0
N A:GLY334 4.1 23.8 1.0
N A:ALA353 4.1 32.5 1.0
CA A:SER335 4.2 38.9 1.0
CB A:ASP338 4.2 32.3 1.0
N A:SER335 4.2 30.5 1.0
CA A:GLY336 4.3 36.5 1.0
CA A:GLY354 4.4 29.1 1.0
CA A:GLY334 4.4 27.2 1.0
CA A:GLY352 4.4 30.9 1.0
O A:HOH1256 4.4 34.9 1.0
N A:GLY354 4.4 31.4 1.0
O A:SER335 4.4 42.5 1.0
N A:GLY352 4.4 29.3 1.0
N A:SER337 4.4 38.9 1.0
CA A:GLY351 4.5 23.2 1.0
CA A:ALA353 4.5 31.2 1.0
CA A:SER337 4.5 37.1 1.0
O A:GLY354 4.5 29.2 1.0
C A:GLY333 4.6 27.9 1.0
C A:GLY354 4.6 33.0 1.0
C A:SER337 4.7 35.9 1.0
CB A:ASP356 4.8 38.1 1.0
CA A:ASP338 4.8 31.1 1.0
CA A:CA504 4.9 34.5 1.0
CA A:GLY333 4.9 25.4 1.0

Calcium binding site 4 out of 8 in 1akl

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Calcium binding site 4 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca504

b:34.5
occ:1.00
O A:GLY369 2.2 27.7 1.0
O A:ALA371 2.3 44.1 1.0
O A:GLY352 2.3 37.9 1.0
O A:GLY354 2.4 29.2 1.0
OD2 A:ASP356 2.5 44.1 1.0
OD1 A:ASP374 2.5 39.8 1.0
OD2 A:ASP374 3.1 43.3 1.0
CG A:ASP374 3.1 41.0 1.0
C A:GLY369 3.4 29.5 1.0
C A:ALA371 3.5 37.3 1.0
C A:GLY352 3.6 29.6 1.0
CG A:ASP356 3.6 41.8 1.0
C A:GLY354 3.6 33.0 1.0
O A:ALA353 3.7 36.6 1.0
C A:GLY370 3.7 39.1 1.0
O A:GLY370 3.7 42.9 1.0
C A:ALA353 3.7 34.9 1.0
N A:ALA371 4.0 38.2 1.0
CA A:GLY370 4.1 35.7 1.0
N A:GLY354 4.1 31.4 1.0
CA A:ALA353 4.2 31.2 1.0
N A:GLY370 4.2 31.2 1.0
C A:GLY351 4.2 29.5 1.0
N A:ASP356 4.3 34.9 1.0
O A:GLY351 4.3 28.1 1.0
N A:ALA353 4.3 32.5 1.0
N A:GLY352 4.4 29.3 1.0
OD1 A:ASP356 4.4 44.1 1.0
CA A:ALA371 4.4 35.0 1.0
CA A:GLY369 4.4 28.9 1.0
CB A:ASP356 4.4 38.1 1.0
N A:GLY372 4.5 39.2 1.0
CA A:GLY354 4.5 29.1 1.0
CA A:GLY372 4.5 36.4 1.0
CB A:ASP374 4.5 38.3 1.0
O A:GLY372 4.5 31.3 1.0
CA A:GLY352 4.6 30.9 1.0
N A:ASN355 4.6 32.1 1.0
CA A:GLY351 4.7 23.2 1.0
C A:GLY372 4.7 31.6 1.0
CA A:ASN355 4.7 38.9 1.0
CA A:CA503 4.9 25.9 1.0
C A:ASN355 5.0 36.2 1.0

Calcium binding site 5 out of 8 in 1akl

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Calcium binding site 5 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca505

b:40.4
occ:1.00
O A:GLY372 2.2 31.3 1.0
O A:HOH1160 2.4 23.7 1.0
O A:GLY370 2.5 42.9 1.0
OD1 A:ASP400 2.7 37.7 1.0
OD2 A:ASP374 2.8 43.3 1.0
OE1 A:GLN399 2.8 58.2 1.0
CG A:ASP400 3.4 38.8 1.0
OD2 A:ASP400 3.5 38.7 1.0
C A:GLY372 3.5 31.6 1.0
C A:GLY370 3.7 39.1 1.0
CG A:ASP374 3.8 41.0 1.0
C A:ALA371 3.9 37.3 1.0
N A:GLY372 4.0 39.2 1.0
CD A:GLN399 4.0 54.2 1.0
O A:ALA371 4.1 44.1 1.0
CA A:GLY372 4.3 36.4 1.0
N A:ASP374 4.3 35.7 1.0
CA A:ALA371 4.4 35.0 1.0
N A:ALA373 4.5 33.3 1.0
N A:ALA371 4.5 38.2 1.0
N A:GLY370 4.5 31.2 1.0
CB A:ASP374 4.5 38.3 1.0
C A:GLY369 4.6 29.5 1.0
OD1 A:ASP374 4.6 39.8 1.0
CA A:ALA373 4.6 36.2 1.0
CG A:GLN399 4.7 50.5 1.0
CA A:GLY370 4.7 35.7 1.0
O A:GLY369 4.7 27.7 1.0
O A:ASP394 4.9 38.6 1.0
CB A:ASP400 4.9 35.9 1.0
C A:ALA373 4.9 34.1 1.0
CB A:VAL396 5.0 37.9 1.0
CA A:GLY369 5.0 28.9 1.0
NE2 A:GLN399 5.0 53.3 1.0

Calcium binding site 6 out of 8 in 1akl

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Calcium binding site 6 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca506

b:32.8
occ:1.00
O A:GLY360 2.3 27.4 1.0
O A:ASN343 2.3 27.9 1.0
O A:VAL345 2.3 27.9 1.0
O A:LEU362 2.4 34.9 1.0
OD1 A:ASN347 2.4 32.0 1.0
OD1 A:ASP365 2.6 34.9 1.0
CG A:ASP365 3.4 34.6 1.0
CG A:ASN347 3.4 29.8 1.0
C A:GLY360 3.5 28.3 1.0
C A:ASN343 3.5 27.1 1.0
C A:VAL345 3.6 33.5 1.0
OD2 A:ASP365 3.6 39.0 1.0
C A:LEU362 3.6 34.1 1.0
C A:GLY361 3.9 25.1 1.0
N A:ASN343 3.9 24.4 1.0
C A:ASP344 4.0 31.9 1.0
N A:LEU362 4.0 29.3 1.0
O A:GLY361 4.1 32.5 1.0
N A:VAL345 4.1 31.9 1.0
O A:ASP344 4.1 34.5 1.0
ND2 A:ASN347 4.2 30.3 1.0
CA A:GLY361 4.3 22.9 1.0
N A:GLY361 4.3 27.3 1.0
N A:ASN347 4.3 27.2 1.0
CB A:ASN347 4.4 28.0 1.0
CA A:ASN343 4.4 25.6 1.0
N A:ASP344 4.4 29.7 1.0
OD1 A:ASN343 4.4 33.3 1.0
CA A:GLY360 4.4 22.7 1.0
C A:GLY342 4.4 23.5 1.0
CA A:ASP344 4.4 31.3 1.0
CA A:LEU362 4.4 30.6 1.0
CA A:VAL345 4.5 30.8 1.0
N A:ALA346 4.5 38.5 1.0
CA A:ALA346 4.5 31.8 1.0
N A:GLY363 4.6 35.9 1.0
CA A:GLY342 4.6 22.5 1.0
CA A:GLY363 4.7 32.3 1.0
C A:ALA346 4.7 28.4 1.0
O A:GLY363 4.7 29.4 1.0
CB A:ASP365 4.8 33.5 1.0
C A:GLY363 4.9 31.0 1.0
CA A:CA507 4.9 29.3 1.0

Calcium binding site 7 out of 8 in 1akl

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Calcium binding site 7 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca507

b:29.3
occ:1.00
O A:GLU383 2.2 39.9 1.0
O A:GLY363 2.3 29.4 1.0
O A:HOH1313 2.3 26.4 1.0
O A:GLY361 2.4 32.5 1.0
OD2 A:ASP365 2.4 39.0 1.0
OD1 A:ASP390 2.5 34.5 1.0
CG A:ASP390 3.3 34.3 1.0
C A:GLU383 3.4 31.9 1.0
OD2 A:ASP390 3.4 37.3 1.0
C A:GLY363 3.5 31.0 1.0
CG A:ASP365 3.6 34.6 1.0
C A:GLY361 3.6 25.1 1.0
O A:LEU362 3.7 34.9 1.0
C A:LEU362 3.8 34.1 1.0
CA A:GLU383 4.1 34.4 1.0
N A:GLY363 4.1 35.9 1.0
N A:ASP365 4.2 29.2 1.0
C A:GLY360 4.2 28.3 1.0
CB A:GLU383 4.3 31.5 1.0
N A:GLY361 4.3 27.3 1.0
OD1 A:ASP365 4.3 34.9 1.0
CA A:LEU362 4.3 30.6 1.0
CA A:GLY363 4.4 32.3 1.0
N A:LEU362 4.4 29.3 1.0
O A:GLY360 4.4 27.4 1.0
CB A:ASP365 4.4 33.5 1.0
N A:SER384 4.5 32.3 1.0
N A:ALA364 4.5 31.5 1.0
CA A:GLY361 4.6 22.9 1.0
CA A:GLY360 4.6 22.7 1.0
CA A:ALA364 4.7 33.4 1.0
CA A:SER384 4.7 34.9 1.0
CB A:ASP390 4.7 36.8 1.0
O A:HOH1311 4.8 36.9 1.0
CB A:SER384 4.9 33.7 1.0
C A:ALA364 4.9 34.2 1.0
CA A:CA506 4.9 32.8 1.0

Calcium binding site 8 out of 8 in 1akl

Go back to Calcium Binding Sites List in 1akl
Calcium binding site 8 out of 8 in the Alkaline Protease From Pseudomonas Aeruginosa IFO3080


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of Alkaline Protease From Pseudomonas Aeruginosa IFO3080 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca508

b:72.9
occ:1.00
O A:HIS452 2.3 46.7 1.0
OG A:SER448 2.5 52.2 1.0
OD1 A:ASP446 2.7 43.9 1.0
OD1 A:ASP454 2.7 45.9 1.0
OD1 A:ASP450 2.7 52.2 1.0
OD2 A:ASP454 2.7 49.3 1.0
CG A:ASP454 3.0 47.4 1.0
CG A:ASP450 3.3 51.9 1.0
OD2 A:ASP450 3.4 53.0 1.0
C A:HIS452 3.4 46.9 1.0
CB A:SER448 3.8 49.1 1.0
CG A:ASP446 3.8 47.5 1.0
CB A:HIS452 3.9 51.3 1.0
CA A:HIS452 4.0 50.0 1.0
N A:HIS452 4.1 50.6 1.0
N A:SER448 4.3 47.6 1.0
CB A:ASP454 4.3 44.9 1.0
C A:ALA453 4.3 43.0 1.0
N A:ASP454 4.3 42.8 1.0
N A:ASP450 4.3 49.2 1.0
O A:ALA453 4.4 44.5 1.0
N A:ALA453 4.4 44.6 1.0
OD2 A:ASP446 4.4 48.4 1.0
CA A:SER448 4.4 50.1 1.0
CB A:ASP450 4.5 49.9 1.0
CA A:ASP454 4.6 45.9 1.0
CB A:ASP446 4.7 47.5 1.0
CA A:ASP450 4.8 48.7 1.0
CA A:ASP446 4.8 45.0 1.0
C A:SER448 4.8 49.6 1.0
CA A:ALA453 4.8 44.7 1.0
N A:GLY449 4.8 51.1 1.0
C A:ASP450 4.9 50.4 1.0
N A:PHE447 5.0 45.2 1.0

Reference:

H.Miyatake, Y.Hata, T.Fujii, K.Hamada, K.Morihara, Y.Katsube. Crystal Structure of the Unliganded Alkaline Protease From Pseudomonas Aeruginosa IFO3080 and Its Conformational Changes on Ligand Binding. J.Biochem.(Tokyo) V. 118 474 1995.
ISSN: ISSN 0021-924X
PubMed: 8690704
Page generated: Sat Dec 12 02:48:19 2020

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